6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C8H10FN5O — CID 140875026

IUPAC6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCN(C)c1nc2n[nH]c(CF)c2c(=O)[nH]1
InChIInChI=1S/C8H10FN5O/c1-14(2)8-10-6-5(7(15)11-8)4(3-9)12-13-6/h3H2,1-2H3,(H2,10,11,12,13,15)
InChIKeyXHOBWMKVTZCADK-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.18
Rot. Bonds2

About 6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 140875026) has the molecular formula C8H10FN5O and a molecular weight of 211.20 g/mol. Its IUPAC name is 6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID140875026
Molecular FormulaC8H10FN5O
Molecular Weight211.20 g/mol
Exact Mass211.09
IUPAC Name6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCN(C)c1nc2n[nH]c(CF)c2c(=O)[nH]1
InChIInChI=1S/C8H10FN5O/c1-14(2)8-10-6-5(7(15)11-8)4(3-9)12-13-6/h3H2,1-2H3,(H2,10,11,12,13,15)
InChIKeyXHOBWMKVTZCADK-UHFFFAOYSA-N
XLogP0.18
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135780309
3,5,7-trimethyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 12417741
5-amino-N,3-dimethyl-1H-pyrazole-4-carboxamide
CID 43159399
6-Tert-butyl-3-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 136355371
3-(Trifluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137216531
1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 140875029
6-Pyrrolidin-3-yl-3-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 169793004
3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 178026719
3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60890845
3-amino-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 61607403
3-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 61607514
3-amino-N,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
CID 65531809

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 140875026) is 6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is CN(C)c1nc2n[nH]c(CF)c2c(=O)[nH]1.
What is the InChIKey of 6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is XHOBWMKVTZCADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN5O/c1-14(2)8-10-6-5(7(15)11-8)4(3-9)12-13-6/h3H2,1-2H3,(H2,10,11,12,13,15).
What are the key properties of 6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 211.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 140875026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).